CID 2561716

793716-00-4

Structural Information

Molecular Formula
C7H7N3O4S
SMILES
C1CS(=O)(=O)N=C2N1C=CN=C2C(=O)O
InChI
InChI=1S/C7H7N3O4S/c11-7(12)5-6-9-15(13,14)4-3-10(6)2-1-8-5/h1-2H,3-4H2,(H,11,12)
InChIKey
VQJCHIMWYDPSIB-UHFFFAOYSA-N
Compound name
2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01573 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02301 142.5
[M+Na]+ 252.00495 152.7
[M-H]- 228.00845 142.1
[M+NH4]+ 247.04955 159.2
[M+K]+ 267.97889 149.9
[M+H-H2O]+ 212.01299 136.1
[M+HCOO]- 274.01393 154.5
[M+CH3COO]- 288.02958 181.9
[M+Na-2H]- 249.99040 148.8
[M]+ 229.01518 143.9
[M]- 229.01628 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.